SCHEMBL23617317

SCHEMBL23617317

CC(=O)CC(=O)c1cc(C)c(Br)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.44
MAPT P10636 4/20 0.36
KDM4E B2RXH2 3/20 0.36
DAO P14920 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
STING1 Q86WV6 3/20 0.35
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15988677 0.83 GSK3B (0.48) GSK3BMAPTKDM4EDAOALDH1A1
SCHEMBL12294979 0.81 GSK3B (0.67) GSK3BMAPTKDM4EDAOALDH1A1
SCHEMBL23617817 0.81 GSK3B (0.46) GSK3BMAPTDAOALDH1A1MEN1
SCHEMBL20488132 0.80 GSK3B (0.40) GSK3BMAPTKDM4EDAOALDH1A1
SCHEMBL18355585 0.80 GSK3B (0.68) GSK3BMAPTKDM4EDAOALDH1A1
SCHEMBL45690 0.79 MAPT (0.42) GSK3BMAPTKDM4EDAOALDH1A1
SCHEMBL15979710 0.77 MEN1 (0.52) GSK3BMAPTKDM4EDAOALDH1A1
SCHEMBL1472954 0.75 DAO (0.63) GSK3BMAPTKDM4EDAOALDH1A1
SCHEMBL17529446 0.75 GSK3B (0.41) GSK3BMAPTKDM4EDAOALDH1A1
SCHEMBL22870146 0.74 KDM4E (0.54) MAPTKDM4EDAOALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3589630-B1 CYCLIC SULFAMIDE COMPOUNDS AND METHODS OF USING SAME ASSEMBLY BIOSCIENCES INC (US) 2021-07-07 EP disclosed